4-[4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethoxy]phenyl]benzonitrile Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H26N2O4/c1-31-23-13-14-26(32-2)24(16-23)25-4-3-15-29(25)27(30)18-33-22-11-9-21(10-12-22)20-7-5-19(17-28)6-8-20/h5-14,16,25H,3-4,15,18H2,1-2H3